N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine

C10H17FN2S — CID 137153620

IUPACN-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESFCC/N=C1/NC2CCCCC2CS1
InChIInChI=1S/C10H17FN2S/c11-5-6-12-10-13-9-4-2-1-3-8(9)7-14-10/h8-9H,1-7H2,(H,12,13)
InChIKeyVYNOQOPKFTUGSA-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.21
Rot. Bonds2

About N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine

N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (PubChem CID 137153620) has the molecular formula C10H17FN2S and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
PubChem CID137153620
Molecular FormulaC10H17FN2S
Molecular Weight216.32 g/mol
Exact Mass216.11
IUPAC NameN-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESFCC/N=C1/NC2CCCCC2CS1
InChIInChI=1S/C10H17FN2S/c11-5-6-12-10-13-9-4-2-1-3-8(9)7-14-10/h8-9H,1-7H2,(H,12,13)
InChIKeyVYNOQOPKFTUGSA-UHFFFAOYSA-N
XLogP2.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The IUPAC name of N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (CID 137153620) is N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.
What is the SMILES notation for N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The canonical SMILES for N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is FCC/N=C1/NC2CCCCC2CS1.
What is the InChIKey of N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The InChIKey is VYNOQOPKFTUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2S/c11-5-6-12-10-13-9-4-2-1-3-8(9)7-14-10/h8-9H,1-7H2,(H,12,13).
What are the key properties of N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine has a molecular weight of 216.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is sourced from PubChem (CID 137153620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).